LAMMPS (3 Aug 2023 - Development - patch_2Aug2023-790-g0fbe388cbd)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
# 2d circle of particles inside a box with LJ walls

variable        b index 0

variable        x index 50
variable        y index 20
variable        d index 20
variable        v index 5
variable        w index 2

units           lj
dimension       2
atom_style      atomic
boundary        f f p

lattice         hex 0.85
Lattice spacing in x,y,z = 1.1655347 2.0187654 1.1655347
region          box block 0 $x 0 $y -0.5 0.5
region          box block 0 50 0 $y -0.5 0.5
region          box block 0 50 0 20 -0.5 0.5
create_box      1 box
Created orthogonal box = (0 0 -0.58276737) to (58.276737 40.375308 0.58276737)
  2 by 2 by 1 MPI processor grid
region          circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region          circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region          circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
region          circle sphere 11 6.7735026918962581988 0.0 10
create_atoms    1 region circle
Created 361 atoms
  using lattice units in orthogonal box = (0 0 -0.58276737) to (58.276737 40.375308 0.58276737)
  create_atoms CPU = 0.000 seconds
mass            1 1.0

velocity        all create 0.5 87287 loop geom
velocity        all set $v $w 0 sum yes
velocity        all set 5 $w 0 sum yes
velocity        all set 5 2 0 sum yes

pair_style      lj/cut 2.5
pair_coeff      1 1 10.0 1.0 2.5

neighbor        0.3 bin
neigh_modify    delay 0 every 1 check yes

fix             1 all nve

fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
fix             2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
fix             3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5

comm_style      tiled
fix             10 all balance 50 0.9 rcb

#compute         1 all property/atom proc
#variable        p atom c_1%10
#dump            2 all custom 50 tmp.dump id v_p x y z

#dump            3 all image 50 image.*.jpg v_p type #                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
#variable        colors string #                "red green blue yellow white #                purple pink orange lime gray"
#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}

thermo_style    custom step temp epair press f_10[3] f_10
thermo          100
timestep        0.001

run             10000
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 42 29 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/2d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.042 | 3.048 | 3.06 Mbytes
   Step          Temp          E_pair         Press         f_10[3]          f_10     
         0   25.701528     -29.143179     -1.2407285      3.2354571      1.0526316    
       100   25.842512     -29.285247      0.26525204     1.0526316      1.0083102    
       200   26.307268     -29.748808      1.8402984      1.0526316      1.0083102    
       300   26.746717     -30.187064      3.3160966      1.0526316      1.0083102    
       400   26.877952     -30.317954      5.3251792      1.0526316      1.0083102    
       500   26.266471     -29.708192      7.9166641      1.0526316      1.0304709    
       600   26.005495     -29.448014      9.4696736      1.0526316      1.0083102    
       700   26.321835     -29.763442      8.7529756      1.0526316      1.0193906    
       800   26.677822     -30.118375      4.840886       1.0526316      1.0083102    
       900   26.708823     -30.149264      2.8898542      1.0526316      1.0193906    
      1000   26.373337     -29.814704      1.6422658      1.0526316      1.0083102    
      1100   25.893585     -29.335362      0.97146057     1.0526316      1.0083102    
      1200   25.710916     -29.147328      0.80754847     1.0526316      1.0193906    
      1300   25.76291      -29.201881      0.88170364     1.0858726      1.0193906    
      1400   26.080337     -29.52159       1.2169926      1.0526316      1.0083102    
      1500   26.473221     -29.914282      2.3873969      1.0969529      1.0304709    
      1600   26.738055     -30.178413      4.1057361      1.0526316      1.0083102    
      1700   26.589182     -30.030057      6.6930875      1.0526316      1.0193906    
      1800   26.122828     -29.565007      8.897304       1.0526316      1.0083102    
      1900   26.16025      -29.602425      8.4722268      1.0969529      1.0083102    
      2000   26.510754     -29.951778      6.6913672      1.0969529      1.0083102    
      2100   26.732291     -30.172707      4.1328654      1.0526316      1.0304709    
      2200   26.479423     -29.92049       2.3106996      1.0526316      1.0083102    
      2300   26.058035     -29.500247      1.2582222      1.0526316      1.0193906    
      2400   25.732051     -29.175166      0.54231521     1.0526316      1.0304709    
      2500   25.733864     -29.176523      0.66714018     1.0526316      1.0083102    
      2600   25.990734     -29.433139      1.2035223      1.0526316      1.0083102    
      2700   26.383788     -29.82468       2.162696       1.0526316      1.0083102    
      2800   26.679604     -30.120134      3.6992506      1.0526316      1.0304709    
      2900   26.600714     -30.041505      5.7237864      1.0526316      1.0083102    
      3000   26.250766     -29.692594      7.9725502      1.0526316      1.0083102    
      3100   26.121363     -29.563584      8.9373309      1.0526316      1.0083102    
      3200   26.477192     -29.918373      7.1092175      1.0526316      1.0083102    
      3300   26.689536     -30.129977      4.5776139      1.0969529      1.0304709    
      3400   26.586629     -30.026764      2.7417726      1.0969529      1.0083102    
      3500   26.220686     -29.659572      1.6498578      1.0969529      1.0083102    
      3600   25.866231     -29.300814      1.1210814      1.0526316      1.0304709    
      3700   25.659205     -29.142497      0.88115023     1.0526316      1.0083102    
      3800   25.68947      -29.145676      1.4621172      1.0969529      1.0304709    
      3900   25.842813     -29.305171      2.6326543      1.0969529      1.0083102    
      4000   25.919278     -29.470226      4.5283838      1.0969529      1.0083102    
      4100   24.903798     -28.514051      8.027658       1.0526316      1.0083102    
      4200   23.423542     -27.070178      11.619766      1.0858726      1.0193906    
      4300   22.043492     -25.928725      13.445594      1.0858726      1.0083102    
      4400   22.154748     -25.970203      12.572064      1.0415512      1.0083102    
      4500   23.469652     -27.084691      9.6953414      1.0415512      1.0193906    
      4600   23.645224     -27.247805      6.5087935      1.0526316      1.0083102    
      4700   23.449403     -26.921826      3.8388213      1.0415512      1.0193906    
      4800   22.978713     -26.375077      2.2105686      1.0304709      1.0193906    
      4900   22.547461     -25.880668      1.6287577      1.0415512      1.0193906    
      5000   22.34432      -25.632296      1.3146711      1.0415512      1.0083102    
      5100   21.859416     -25.132381      1.4466766      1.0193906      1.0304709    
      5200   21.854255     -25.131546      1.6303448      1.0193906      1.0083102    
      5300   21.425171     -24.876722      2.6133634      1.0193906      1.0193906    
      5400   19.687643     -23.234478      5.4446821      1.0193906      1.0193906    
      5500   18.102224     -21.98985       7.8007647      1.0193906      1.0083102    
      5600   17.402396     -21.218157      8.8854058      1.0193906      1.0083102    
      5700   17.49995      -21.430274      8.8193838      1.0193906      1.0083102    
      5800   18.012839     -21.490423      8.2097596      1.0083102      1.0083102    
      5900   17.565818     -21.169657      7.3645466      1.0304709      1.0083102    
      6000   17.00239      -20.455416      8.0176192      1.0304709      1.0193906    
      6100   17.527455     -20.899259      6.0280748      1.0193906      1.0083102    
      6200   17.068393     -20.522944      5.4664014      1.0083102      1.0083102    
      6300   16.424576     -19.675908      5.13206        1.0083102      1.0193906    
      6400   16.18682      -19.428005      4.2994462      1.0083102      1.0083102    
      6500   15.692498     -18.890361      3.8912337      1.0193906      1.0083102    
      6600   15.543565     -18.808306      3.4752832      1.0637119      1.0083102    
      6700   15.657432     -18.758221      2.9143187      1.0415512      1.0083102    
      6800   15.730059     -18.834511      2.1741976      1.0193906      1.0083102    
      6900   14.954711     -18.033715      2.4588698      1.0415512      1.0083102    
      7000   15.332203     -18.367577      2.1869698      1.0415512      1.0193906    
      7100   14.54279      -17.554326      2.1617263      1.0304709      1.0193906    
      7200   14.485747     -17.494113      1.362177       1.0193906      1.0193906    
      7300   14.266906     -17.269915      1.6961885      1.0193906      1.0083102    
      7400   13.635947     -16.654801      2.1133026      1.0193906      1.0193906    
      7500   14.029933     -17.022405      1.6716246      1.0193906      1.0083102    
      7600   14.119782     -17.107927      1.516669       1.0304709      1.0083102    
      7700   14.0984       -17.079131      1.6226374      1.0193906      1.0193906    
      7800   13.895083     -16.873848      1.6965546      1.0083102      1.0193906    
      7900   13.55953      -16.536866      1.9893454      1.0193906      1.0083102    
      8000   13.649101     -16.633977      1.4873767      1.0526316      1.0083102    
      8100   13.534848     -16.5239        1.5030254      1.0304709      1.0083102    
      8200   13.039311     -16.021896      1.9003186      1.0083102      1.0083102    
      8300   13.212394     -16.15257       1.6325076      1.0304709      1.0083102    
      8400   12.719582     -15.761108      1.7061831      1.0193906      1.0193906    
      8500   12.954096     -15.962673      1.2631089      1.0193906      1.0193906    
      8600   12.583443     -15.65611       1.3899368      1.0083102      1.0083102    
      8700   12.678764     -15.710348      1.0530056      1.0304709      1.0083102    
      8800   12.740618     -15.660427      1.5864512      1.0193906      1.0083102    
      8900   12.249135     -15.232792      1.624414       1.0304709      1.0193906    
      9000   12.500318     -15.426035      1.1440223      1.0193906      1.0083102    
      9100   12.322373     -15.221333      1.5141173      1.0193906      1.0083102    
      9200   12.259837     -15.16384       1.4848297      1.0193906      1.0083102    
      9300   11.928997     -14.955513      1.3933259      1.0193906      1.0083102    
      9400   12.08076      -14.972026      1.6436388      1.0415512      1.0083102    
      9500   12.059618     -14.952921      1.6617096      1.0083102      1.0304709    
      9600   11.840796     -14.759488      1.6735572      1.0304709      1.0083102    
      9700   11.781829     -14.678411      1.6633417      1.0083102      1.0083102    
      9800   11.947375     -14.931443      1.6695696      1.0083102      1.0193906    
      9900   12.031986     -14.904841      0.97065132     1.0193906      1.0083102    
     10000   11.564772     -14.48025       1.627038       1.0304709      1.0083102    
Loop time of 0.161375 on 4 procs for 10000 steps with 361 atoms

Performance: 5353997.284 tau/day, 61967.561 timesteps/s, 22.370 Matom-step/s
86.0% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.04238    | 0.045072   | 0.04897    |   1.3 | 27.93
Neigh   | 0.01265    | 0.013679   | 0.014709   |   0.6 |  8.48
Comm    | 0.043614   | 0.054438   | 0.062719   |   3.0 | 33.73
Output  | 0.00097457 | 0.0010711  | 0.0012879  |   0.4 |  0.66
Modify  | 0.022286   | 0.022773   | 0.023314   |   0.3 | 14.11
Other   |            | 0.02434    |            |       | 15.08

Nlocal:          90.25 ave          91 max          89 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Nghost:          42.75 ave          70 max          26 min
Histogram: 2 0 0 0 1 0 0 0 0 1
Neighs:          492.5 ave         588 max         427 min
Histogram: 1 0 0 2 0 0 0 0 0 1

Total # of neighbors = 1970
Ave neighs/atom = 5.4570637
Neighbor list builds = 1087
Dangerous builds = 0
Total wall time: 0:00:00
